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G21EA results

Density functional: MPWB1K

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 EA_c EA_c- 1 -1 29.2 -1.39 -1.39 -1.39
2 EA_o EA_o- 1 -1 33.7 -7.46 -7.46 -7.46
3 EA_f EA_f- 1 -1 78.4 -8.05 -8.05 -8.05
4 EA_si EA_si- 1 -1 32.1 -2.02 -2.02 -2.02
5 EA_p EA_p- 1 -1 17.3 -1.81 -1.81 -1.81
6 EA_s EA_s- 1 -1 48.0 -2.31 -2.31 -2.31
7 EA_cl EA_cl- 1 -1 83.5 -2.26 -2.26 -2.26
8 EA_8n EA_8 1 -1 27.9 -1.23 -1.23 -1.23
9 EA_9n EA_9 1 -1 13.4 -4.48 -4.49 -4.48
10 EA_10n EA_10 1 -1 1.2 -5.21 -5.22 -5.21
11 EA_11n EA_11 1 -1 8.3 -6.97 -6.97 -6.97
12 EA_12n EA_12 1 -1 16.8 -6.72 -6.72 -6.72
13 EA_13n EA_13 1 -1 41.7 -8.61 -8.61 -8.61
14 EA_14n EA_14 1 -1 29.3 -1.82 -1.82 -1.82
15 EA_15n EA_15 1 -1 25.1 -1.10 -1.10 -1.10
16 EA_16n EA_16 1 -1 31.4 -2.97 -2.99 -2.96
17 EA_17n EA_17 1 -1 23.5 -2.88 -2.88 -2.88
18 EA_18n EA_18 1 -1 28.8 -2.88 -2.88 -2.88
19 EA_19n EA_19 1 -1 54.2 -3.81 -3.81 -3.81
20 EA_20n EA_20 1 -1 9.5 -7.50 -7.49 -7.50
21 EA_21n EA_21 1 -1 -0.2 0.63 0.63 0.63
22 EA_22n EA_22 1 -1 89.5 1.87 1.87 1.87
23 EA_23n EA_23 1 -1 24.9 0.51 0.51 0.51
24 EA_24n EA_24 1 -1 38.0 -3.65 -3.64 -3.65
25 EA_25n EA_25 1 -1 54.7 1.05 1.14 1.02
MD -3.24 -3.24 -3.24
MAD 3.57 3.57 3.57
RMSD 4.36 4.37 4.36